moment magnetic zero

Posted on : June 13, 2018 (Wed) 10:38:15

by houssine

Dear Professor Akai;
When I run the go program of my system ZnO i made a doping with Co element I find the moment nul
here is input on which I work thank you very much
c----------------------ZnO----------------------------------
go data/ZnO
c------------------------------------------------------------
c brvtyp a c/a b/a alpha beta gamma
hex 6.1227 , 1.60494553 , 1.0 , 90 , 90 , 120 ,
c------------------------------------------------------------
c edelt ewidth reltyp sdftyp magtyp record
0.001 2 sra mjw mag 2nd
c------------------------------------------------------------
c outtyp bzqlty maxitr pmix
update 4 150 0.02
c------------------------------------------------------------
c ntyp
4
c------------------------------------------------------------
c type ncmp rmt field mxl anclr conc
Zn 2 2.2549 0.0 2 30 98
27 2
o 1 1.9567 0.0 2 8 100
Vc_1 2.5436 1 0.0 0 0 100
Vc_2 1.3862 1 0.0 0 0 100
c------------------------------------------------------------
c natm
8
c------------------------------------------------------------

0.33333300 -0.33333300 0.00000000 zn
-0.33333300 0.33333300 0.50000000 zn
0.33333300 -0.33333300 0.38260000 o
-0.33333300 0.33333300 -0.11740000 o
0.00000000 0.00000000 -0.28286000 Vc_1
0.00000000 0.00000000 0.21714000 Vc_1
-0.33333300 0.33333300 0.177766 Vc_2
0.33333300 -0.33333300 -0.3223400 Vc_2